5-[2-[2-azanyl-9-(phenylmethyl)purin-6-yl]ethynyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 5-[2-[2-azanyl-9-(phenylmethyl)purin-6-yl]ethynyl]-1H-pyrimidine-2,4-dione Openeye Name: 5-[2-(2-amino-9-benzyl-purin-6-yl)ethynyl]-1H-pyrimidine-2,4-dione CAS Name: 5-[2-[2-amino-9-(phenylmethyl)-6-purinyl]ethynyl]-1H-pyrimidine-2,4-dione IUPAC Name: 5-[2-(2-amino-9-benzylpurin-6-yl)ethynyl]-1H-pyrimidine-2,4-dione Traditional Name: 5-[2-(2-amino-9-benzyl-purin-6-yl)ethynyl]uracil Formula: C18H13N7O2 MolecularWeight: 359.34152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)C#CC4=CNC(=O)NC4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)C#CC4=CNC(=O)NC4=O

InChI

InChI=1S/C18H13N7O2/c19-17-22-13(7-6-12-8-20-18(27)24-16(12)26)14-15(23-17)25(10-21-14)9-11-4-2-1-3-5-11/h1-5,8,10H,9H2,(H2,19,22,23)(H2,20,24,26,27)